4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide

C14H17N3O2S — CID 63716289

IUPAC4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C14H17N3O2S/c1-8-5-15-6-10(8)14(19)16-9-2-3-12-11(4-9)17-13(18)7-20-12/h2-4,8,10,15H,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyIXFJMTQJAFLIEE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.52
Rot. Bonds2

About 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide

4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide (PubChem CID 63716289) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
PubChem CID63716289
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C14H17N3O2S/c1-8-5-15-6-10(8)14(19)16-9-2-3-12-11(4-9)17-13(18)7-20-12/h2-4,8,10,15H,5-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyIXFJMTQJAFLIEE-UHFFFAOYSA-N
XLogP1.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250
(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124708
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
3-[(3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549167
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
1-(2,2-dimethylpropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)urea
CID 110774699
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide (CID 63716289) is 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is IXFJMTQJAFLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-5-15-6-10(8)14(19)16-9-2-3-12-11(4-9)17-13(18)7-20-12/h2-4,8,10,15H,5-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63716289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).